UCSF

ZINC36338644

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 46 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 13.7 -78.93 4 12 0 163 639.794 12
Mid Mid (pH 6-8) 2.96 12.56 -53.59 3 12 -1 162 638.786 12
Lo Low (pH 4.5-6) 2.96 11.72 -52.98 5 12 1 160 640.802 12

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.